CID 286599

1-azaspiro[2.5]octane

Structural Information

Molecular Formula
C7H13N
SMILES
C1CCC2(CC1)CN2
InChI
InChI=1S/C7H13N/c1-2-4-7(5-3-1)6-8-7/h8H,1-6H2
InChIKey
CBLWNEBYJOYFFX-UHFFFAOYSA-N
Compound name
1-azaspiro[2.5]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

828
Patents

111.1048 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 112.11208 127.9
[M+Na]+ 134.09402 135.2
[M-H]- 110.09752 131.3
[M+NH4]+ 129.13862 145.7
[M+K]+ 150.06796 133.6
[M+H-H2O]+ 94.102060 121.9
[M+HCOO]- 156.10300 146.2
[M+CH3COO]- 170.11865 140.2
[M+Na-2H]- 132.07947 136.0
[M]+ 111.10425 123.4
[M]- 111.10535 123.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe